(2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide Openeye Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide CAS Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide Traditional Name: (2S)-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(ethylcarbamoyl)propionamide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-3-21-19(27)23-18(26)14(2)28-20-22-17(15-10-6-4-7-11-15)25(24-20)16-12-8-5-9-13-16/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3,(H2,21,23,26,27)/t14-/m0/s1